ID: 63736
SMILES:C12CC3c4c(cc(CCCCC)cc4O)OC(O)(C3CC(C)=C3C1C(C)(C)C2)CC(O)C(C)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -11.995
InChIKey:ZESWWCFDGCYSQI-UHFFFAOYSA-N
ID: 63737
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1(O)C(O)=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.62
InChIKey:ZLMRDYNCFGXZDR-UHFFFAOYSA-N
ID: 63738
SMILES:c12c(O)cc(CCCCC)cc1OC1C(O)CCC(C)(C)C1(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.152
InChIKey:XELZMJWINWDHTB-UHFFFAOYSA-N
ID: 63739
SMILES:C(CCC12Oc3c(cc(O)cc3)C=C1CCC2C(=C)C)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -12.988
InChIKey:UQRRFXWMBKSLFK-UHFFFAOYSA-N
ID: 63740
SMILES:Cc1c(C(CC(C)C)=O)oc2c1C(O)C1C(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.504
InChIKey:GMEWPPNPMBBWKO-UHFFFAOYSA-N
ID: 63741
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CC(=O)C(C)(CC2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.943
InChIKey:HQMORFNKYGZNLN-UHFFFAOYSA-N
ID: 63742
SMILES:c12c(OC)cc(CCCCC)cc1OC(C)(C)OC1=CC(C=C)(C(C)C2(C)CC(c2ccoc2)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.683
CB1 binding score: -13.091
InChIKey:OCAPLXCZCWDPLH-UHFFFAOYSA-N
ID: 63743
SMILES:c1(CCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 63744
SMILES:C1=C(C)C(CCC(=CCc2cc(OC)cc(C)c2O)C)C(C)(C(=C)C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -14.515
InChIKey:FFXZZKOVHFLONW-UHFFFAOYSA-N
ID: 63745
SMILES:o1c(=O)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.496
InChIKey:AMPYQCAZVSLXCV-UHFFFAOYSA-N
ID: 63746
SMILES:C1C(C(C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.385
InChIKey:OEDPJGVWHANUAE-UHFFFAOYSA-N
ID: 63747
SMILES:CC1(C)Oc2c(cc(CCC)cc2O)C2=C1CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.82
InChIKey:FQDFCUXWRIRFRG-UHFFFAOYSA-N
ID: 63748
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3OC(C)=O)C(OC(=O)CC)C2C(CCC=C(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.703
CB1 binding score: -13.489
InChIKey:QAEGTFRRSHTVFA-UHFFFAOYSA-N
ID: 63749
SMILES:CC(CC(c1c(O)c2c(cc1C)OC(C)(C)C1C2(C)CCC1C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -13.649
InChIKey:SQVUYHBOTSSQMQ-UHFFFAOYSA-N
ID: 63750
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 63751
SMILES:c1(O)cc2c(c(=O)c(-c3ccc(OC)cc3)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.468
CB1 binding score: -14.352
InChIKey:GMPHLHNCZAZPPR-UHFFFAOYSA-N
ID: 63752
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.73
InChIKey:FIPBXVBQTMSTCS-UHFFFAOYSA-N
ID: 63753
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 63754
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 63755
SMILES:C1(Cc2c(O)cc(CCCC)cc2O)C(C)CCC(C(=C)C2CC=C(C)C(=O)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.403
InChIKey:IFNSMUBJPXIBAN-UHFFFAOYSA-N
ID: 63756
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C3C(O)(CC1)C(O)(C)CC=C3C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.797
InChIKey:DBOFXNJJYUWIIJ-UHFFFAOYSA-N